8-phenyloctan-2-yl nitrite

C14H21NO2 — CID 161142900

IUPAC8-phenyloctan-2-yl nitrite
SMILESCC(CCCCCCc1ccccc1)ON=O
InChIInChI=1S/C14H21NO2/c1-13(17-15-16)9-5-2-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3
InChIKeyNSLVMZLBRGQPJK-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.27
Rot. Bonds9

About 8-phenyloctan-2-yl nitrite

8-phenyloctan-2-yl nitrite (PubChem CID 161142900) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 8-phenyloctan-2-yl nitrite.

Molecular Properties

Compound Name8-phenyloctan-2-yl nitrite
PubChem CID161142900
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name8-phenyloctan-2-yl nitrite
SMILESCC(CCCCCCc1ccccc1)ON=O
InChIInChI=1S/C14H21NO2/c1-13(17-15-16)9-5-2-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3
InChIKeyNSLVMZLBRGQPJK-UHFFFAOYSA-N
XLogP4.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-phenylnonan-2-yl nitrite
CID 174666928
6-phenylhexan-2-yl hydrogen carbonate
CID 67179658
5-methylheptylbenzene
CID 564254
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
[(2R)-5-phenylpentan-2-yl] methanesulfonate
CID 22827842
2-(8-phenyloctyl)propanedioic acid
CID 20544236
6-phenylhexan-2-ylbenzene
CID 19704587
2-butan-2-yloxycarbonyl-7-phenylheptanoic acid
CID 70548779
(2S)-6-phenylhexane-2-sulfonate
CID 86738785
2-nitroso-6-phenylhexanoic acid
CID 57068529
4-(7-phenylheptan-2-yl)pyridine
CID 14883828
15-phenylpentadecane-1,1-diol
CID 139927269

Frequently Asked Questions

What is the IUPAC name of 8-phenyloctan-2-yl nitrite?
The IUPAC name of 8-phenyloctan-2-yl nitrite (CID 161142900) is 8-phenyloctan-2-yl nitrite.
What is the SMILES notation for 8-phenyloctan-2-yl nitrite?
The canonical SMILES for 8-phenyloctan-2-yl nitrite is CC(CCCCCCc1ccccc1)ON=O.
What is the InChIKey of 8-phenyloctan-2-yl nitrite?
The InChIKey is NSLVMZLBRGQPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(17-15-16)9-5-2-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3.
What are the key properties of 8-phenyloctan-2-yl nitrite?
8-phenyloctan-2-yl nitrite has a molecular weight of 235.33 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyloctan-2-yl nitrite is sourced from PubChem (CID 161142900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).